Abstract
The electronic quenching reaction N((2)D) + N2 → N((4)S) + N2 is studied using the trajectory surface hopping method and employing two doublet and one quartet accurate potential energy surfaces. State-specific properties are analyzed, such as the dependence of the cross section on the initial quantum state of the reactants, vibrational energy transfer, and rovibrational distribution of the product N2 molecule in thermalized conditions. It is found that rotational energy on the reactant N2 molecule is effective in promoting the reaction, whereas vibrational excitation tends to reduce the reaction probability. For initial states and collision energy thermalized in an initial bath, it is found that the products are "hotter", both vibration and rotation wise.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
